USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -168:sc= -0.064 (180deg=-0.35) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 141:sc= -0.0247 (180deg=-0.657) USER MOD Single : A 4 THR OG1 : rot -81:sc= 0.797 USER MOD Single : A 6 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.29) USER MOD Single : A 8 LYS NZ :NH3+ -144:sc= -0.0801 (180deg=-0.588) USER MOD Single : A 10 GLN : amide:sc= -3.82! C(o=-3.8!,f=-4.6!) USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= -0.0501 (180deg=-0.524) USER MOD Single : A 14 ASN : amide:sc= -0.0557 K(o=-0.056,f=-1.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.754! C(o=-0.75!,f=-3.2!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -133:sc= -0.0373 (180deg=-0.497) USER MOD Single : A 48 GLN : amide:sc= -0.0265 K(o=-0.026,f=-1.5!) USER MOD Single : A 50 HIS : no HD1:sc= -0.092 X(o=-0.092,f=-0.56) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.115 37.008 -38.939 1.00 0.00 N ATOM 2 CA GLY A 1 10.073 36.971 -37.875 1.00 0.00 C ATOM 3 C GLY A 1 8.966 36.003 -38.279 1.00 0.00 C ATOM 4 O GLY A 1 8.329 35.384 -37.428 1.00 0.00 O ATOM 0 H1 GLY A 1 11.958 37.502 -38.582 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.371 36.037 -39.208 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.745 37.512 -39.770 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.515 36.659 -36.929 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.660 37.968 -37.721 1.00 0.00 H new ATOM 10 N SER A 2 8.743 35.878 -39.582 1.00 0.00 N ATOM 11 CA SER A 2 7.709 34.982 -40.089 1.00 0.00 C ATOM 12 C SER A 2 8.033 33.533 -39.734 1.00 0.00 C ATOM 13 O SER A 2 7.144 32.686 -39.674 1.00 0.00 O ATOM 14 CB SER A 2 7.593 35.125 -41.606 1.00 0.00 C ATOM 15 OG SER A 2 8.806 34.698 -42.213 1.00 0.00 O ATOM 0 H SER A 2 9.260 36.382 -40.303 1.00 0.00 H new ATOM 0 HA SER A 2 6.760 35.253 -39.626 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.759 34.529 -41.976 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.386 36.162 -41.870 1.00 0.00 H new ATOM 0 HG SER A 2 8.734 34.787 -43.186 1.00 0.00 H new ATOM 21 N LYS A 3 9.313 33.260 -39.502 1.00 0.00 N ATOM 22 CA LYS A 3 9.746 31.910 -39.154 1.00 0.00 C ATOM 23 C LYS A 3 9.113 31.457 -37.840 1.00 0.00 C ATOM 24 O LYS A 3 9.050 30.262 -37.549 1.00 0.00 O ATOM 25 CB LYS A 3 11.274 31.864 -39.043 1.00 0.00 C ATOM 26 CG LYS A 3 11.746 32.750 -37.885 1.00 0.00 C ATOM 27 CD LYS A 3 13.275 32.748 -37.834 1.00 0.00 C ATOM 28 CE LYS A 3 13.750 33.675 -36.713 1.00 0.00 C ATOM 29 NZ LYS A 3 13.275 33.153 -35.401 1.00 0.00 N1+ ATOM 0 H LYS A 3 10.064 33.949 -39.548 1.00 0.00 H new ATOM 0 HA LYS A 3 9.421 31.231 -39.942 1.00 0.00 H new ATOM 0 HB2 LYS A 3 11.604 30.837 -38.883 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.724 32.202 -39.976 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.377 33.767 -38.017 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.339 32.383 -36.943 1.00 0.00 H new ATOM 0 HD2 LYS A 3 13.642 31.736 -37.664 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.682 33.078 -38.790 1.00 0.00 H new ATOM 0 HE2 LYS A 3 14.838 33.741 -36.718 1.00 0.00 H new ATOM 0 HE3 LYS A 3 13.369 34.683 -36.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 14.018 33.284 -34.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 12.420 33.670 -35.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.054 32.141 -35.490 1.00 0.00 H new ATOM 43 N THR A 4 8.652 32.421 -37.047 1.00 0.00 N ATOM 44 CA THR A 4 8.030 32.121 -35.760 1.00 0.00 C ATOM 45 C THR A 4 6.528 31.908 -35.919 1.00 0.00 C ATOM 46 O THR A 4 5.824 31.646 -34.943 1.00 0.00 O ATOM 47 CB THR A 4 8.283 33.271 -34.783 1.00 0.00 C ATOM 48 OG1 THR A 4 7.747 34.472 -35.320 1.00 0.00 O ATOM 49 CG2 THR A 4 9.787 33.437 -34.545 1.00 0.00 C ATOM 0 H THR A 4 8.697 33.415 -37.272 1.00 0.00 H new ATOM 0 HA THR A 4 8.472 31.204 -35.371 1.00 0.00 H new ATOM 0 HB THR A 4 7.798 33.048 -33.833 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.374 34.846 -35.974 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.957 34.258 -33.848 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.193 32.516 -34.126 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.283 33.655 -35.491 1.00 0.00 H new ATOM 57 N ILE A 5 6.038 32.027 -37.149 1.00 0.00 N ATOM 58 CA ILE A 5 4.614 31.847 -37.413 1.00 0.00 C ATOM 59 C ILE A 5 4.160 30.454 -36.982 1.00 0.00 C ATOM 60 O ILE A 5 2.979 30.234 -36.713 1.00 0.00 O ATOM 61 CB ILE A 5 4.316 32.063 -38.903 1.00 0.00 C ATOM 62 CG1 ILE A 5 2.800 32.156 -39.114 1.00 0.00 C ATOM 63 CG2 ILE A 5 4.868 30.898 -39.730 1.00 0.00 C ATOM 64 CD1 ILE A 5 2.513 32.639 -40.537 1.00 0.00 C ATOM 0 H ILE A 5 6.600 32.245 -37.972 1.00 0.00 H new ATOM 0 HA ILE A 5 4.061 32.587 -36.834 1.00 0.00 H new ATOM 0 HB ILE A 5 4.794 32.988 -39.226 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.338 31.182 -38.949 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.363 32.843 -38.390 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.649 31.065 -40.785 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.947 30.831 -39.589 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.401 29.968 -39.405 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.436 32.706 -40.688 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.962 33.621 -40.685 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.937 31.935 -41.253 1.00 0.00 H new ATOM 76 N GLN A 6 5.104 29.521 -36.909 1.00 0.00 N ATOM 77 CA GLN A 6 4.783 28.155 -36.500 1.00 0.00 C ATOM 78 C GLN A 6 4.289 28.139 -35.058 1.00 0.00 C ATOM 79 O GLN A 6 3.357 27.410 -34.721 1.00 0.00 O ATOM 80 CB GLN A 6 6.017 27.250 -36.632 1.00 0.00 C ATOM 81 CG GLN A 6 6.349 26.997 -38.111 1.00 0.00 C ATOM 82 CD GLN A 6 5.216 26.235 -38.791 1.00 0.00 C ATOM 83 OE1 GLN A 6 4.588 26.747 -39.717 1.00 0.00 O ATOM 84 NE2 GLN A 6 4.914 25.032 -38.382 1.00 0.00 N ATOM 0 H GLN A 6 6.088 29.681 -37.125 1.00 0.00 H new ATOM 0 HA GLN A 6 3.996 27.778 -37.153 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.870 27.715 -36.137 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.834 26.301 -36.128 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.513 27.947 -38.620 1.00 0.00 H new ATOM 0 HG3 GLN A 6 7.276 26.429 -38.190 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.435 24.608 -37.614 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.157 24.516 -38.830 1.00 0.00 H new ATOM 93 N GLU A 7 4.916 28.954 -34.216 1.00 0.00 N ATOM 94 CA GLU A 7 4.538 29.038 -32.805 1.00 0.00 C ATOM 95 C GLU A 7 3.096 29.516 -32.664 1.00 0.00 C ATOM 96 O GLU A 7 2.366 29.073 -31.777 1.00 0.00 O ATOM 97 CB GLU A 7 5.471 29.993 -32.054 1.00 0.00 C ATOM 98 CG GLU A 7 6.856 29.356 -31.892 1.00 0.00 C ATOM 99 CD GLU A 7 7.837 30.381 -31.330 1.00 0.00 C ATOM 100 OE1 GLU A 7 7.504 31.555 -31.337 1.00 0.00 O ATOM 101 OE2 GLU A 7 8.905 29.977 -30.902 1.00 0.00 O1- ATOM 0 H GLU A 7 5.687 29.566 -34.483 1.00 0.00 H new ATOM 0 HA GLU A 7 4.626 28.041 -32.372 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.556 30.934 -32.598 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.053 30.228 -31.075 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.794 28.495 -31.226 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.212 28.989 -32.855 1.00 0.00 H new ATOM 108 N LYS A 8 2.704 30.431 -33.538 1.00 0.00 N ATOM 109 CA LYS A 8 1.357 30.988 -33.511 1.00 0.00 C ATOM 110 C LYS A 8 0.308 29.889 -33.678 1.00 0.00 C ATOM 111 O LYS A 8 -0.755 29.937 -33.060 1.00 0.00 O ATOM 112 CB LYS A 8 1.207 32.009 -34.641 1.00 0.00 C ATOM 113 CG LYS A 8 -0.111 32.779 -34.480 1.00 0.00 C ATOM 114 CD LYS A 8 -0.445 33.548 -35.767 1.00 0.00 C ATOM 115 CE LYS A 8 0.656 34.564 -36.092 1.00 0.00 C ATOM 116 NZ LYS A 8 0.870 35.458 -34.919 1.00 0.00 N1+ ATOM 0 H LYS A 8 3.300 30.805 -34.277 1.00 0.00 H new ATOM 0 HA LYS A 8 1.202 31.471 -32.546 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.047 32.703 -34.629 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.226 31.502 -35.606 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.918 32.085 -34.244 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.033 33.474 -33.644 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.558 32.849 -36.596 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.399 34.062 -35.652 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.582 34.046 -36.341 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.376 35.153 -36.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.087 36.420 -35.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.009 35.479 -34.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.664 35.100 -34.350 1.00 0.00 H new ATOM 130 N GLU A 9 0.600 28.913 -34.531 1.00 0.00 N ATOM 131 CA GLU A 9 -0.350 27.827 -34.779 1.00 0.00 C ATOM 132 C GLU A 9 -0.661 27.049 -33.499 1.00 0.00 C ATOM 133 O GLU A 9 -1.821 26.730 -33.234 1.00 0.00 O ATOM 134 CB GLU A 9 0.200 26.867 -35.841 1.00 0.00 C ATOM 135 CG GLU A 9 0.158 27.533 -37.221 1.00 0.00 C ATOM 136 CD GLU A 9 0.890 26.664 -38.238 1.00 0.00 C ATOM 137 OE1 GLU A 9 1.596 25.763 -37.818 1.00 0.00 O ATOM 138 OE2 GLU A 9 0.731 26.912 -39.422 1.00 0.00 O1- ATOM 0 H GLU A 9 1.472 28.848 -35.056 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.274 28.278 -35.139 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.224 26.587 -35.594 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.388 25.949 -35.853 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.876 27.680 -37.532 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.620 28.519 -37.173 1.00 0.00 H new ATOM 145 N GLN A 10 0.359 26.753 -32.698 1.00 0.00 N ATOM 146 CA GLN A 10 0.133 26.023 -31.451 1.00 0.00 C ATOM 147 C GLN A 10 -0.705 26.861 -30.491 1.00 0.00 C ATOM 148 O GLN A 10 -1.571 26.340 -29.791 1.00 0.00 O ATOM 149 CB GLN A 10 1.460 25.645 -30.781 1.00 0.00 C ATOM 150 CG GLN A 10 2.150 24.521 -31.566 1.00 0.00 C ATOM 151 CD GLN A 10 2.755 25.072 -32.849 1.00 0.00 C ATOM 152 OE1 GLN A 10 3.467 26.070 -32.815 1.00 0.00 O ATOM 153 NE2 GLN A 10 2.510 24.477 -33.985 1.00 0.00 N ATOM 0 H GLN A 10 1.331 27.000 -32.883 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.404 25.107 -31.695 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.112 26.517 -30.732 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.279 25.324 -29.755 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.929 24.065 -30.954 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.430 23.737 -31.802 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.917 23.647 -34.009 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.911 24.842 -34.849 1.00 0.00 H new ATOM 162 N GLU A 11 -0.437 28.159 -30.458 1.00 0.00 N ATOM 163 CA GLU A 11 -1.172 29.056 -29.575 1.00 0.00 C ATOM 164 C GLU A 11 -2.653 29.088 -29.943 1.00 0.00 C ATOM 165 O GLU A 11 -3.519 29.127 -29.068 1.00 0.00 O ATOM 166 CB GLU A 11 -0.592 30.469 -29.667 1.00 0.00 C ATOM 167 CG GLU A 11 0.793 30.496 -29.016 1.00 0.00 C ATOM 168 CD GLU A 11 1.454 31.849 -29.254 1.00 0.00 C ATOM 169 OE1 GLU A 11 0.946 32.599 -30.071 1.00 0.00 O ATOM 170 OE2 GLU A 11 2.458 32.117 -28.617 1.00 0.00 O1- ATOM 0 H GLU A 11 0.278 28.612 -31.027 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.074 28.686 -28.554 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.521 30.777 -30.710 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.253 31.178 -29.169 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.705 30.308 -27.946 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.414 29.701 -29.429 1.00 0.00 H new ATOM 177 N LEU A 12 -2.940 29.080 -31.242 1.00 0.00 N ATOM 178 CA LEU A 12 -4.325 29.117 -31.709 1.00 0.00 C ATOM 179 C LEU A 12 -5.090 27.868 -31.273 1.00 0.00 C ATOM 180 O LEU A 12 -6.249 27.956 -30.867 1.00 0.00 O ATOM 181 CB LEU A 12 -4.369 29.231 -33.238 1.00 0.00 C ATOM 182 CG LEU A 12 -3.904 30.627 -33.692 1.00 0.00 C ATOM 183 CD1 LEU A 12 -3.734 30.623 -35.216 1.00 0.00 C ATOM 184 CD2 LEU A 12 -4.939 31.701 -33.291 1.00 0.00 C ATOM 0 H LEU A 12 -2.241 29.049 -31.984 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.800 29.991 -31.263 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.732 28.467 -33.683 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.383 29.047 -33.593 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.956 30.862 -33.208 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.405 31.608 -35.548 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.990 29.878 -35.497 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.686 30.381 -35.688 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.593 32.681 -33.620 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.896 31.477 -33.762 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.059 31.704 -32.208 1.00 0.00 H new ATOM 196 N LYS A 13 -4.441 26.705 -31.357 1.00 0.00 N ATOM 197 CA LYS A 13 -5.081 25.443 -30.966 1.00 0.00 C ATOM 198 C LYS A 13 -4.122 24.578 -30.155 1.00 0.00 C ATOM 199 O LYS A 13 -2.925 24.538 -30.429 1.00 0.00 O ATOM 200 CB LYS A 13 -5.521 24.677 -32.216 1.00 0.00 C ATOM 201 CG LYS A 13 -6.607 25.470 -32.945 1.00 0.00 C ATOM 202 CD LYS A 13 -7.054 24.700 -34.189 1.00 0.00 C ATOM 203 CE LYS A 13 -8.164 25.476 -34.899 1.00 0.00 C ATOM 204 NZ LYS A 13 -7.634 26.789 -35.364 1.00 0.00 N1+ ATOM 0 H LYS A 13 -3.481 26.608 -31.689 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.950 25.675 -30.350 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.668 24.516 -32.876 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.899 23.693 -31.938 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.457 25.637 -32.283 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.227 26.451 -33.229 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.209 24.555 -34.863 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.411 23.709 -33.908 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.538 24.902 -35.747 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.005 25.630 -34.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.256 27.172 -36.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.599 27.452 -34.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.677 26.660 -35.749 1.00 0.00 H new ATOM 218 N ASN A 14 -4.659 23.882 -29.158 1.00 0.00 N ATOM 219 CA ASN A 14 -3.837 23.017 -28.318 1.00 0.00 C ATOM 220 C ASN A 14 -3.203 21.906 -29.150 1.00 0.00 C ATOM 221 O ASN A 14 -2.043 21.552 -28.946 1.00 0.00 O ATOM 222 CB ASN A 14 -4.692 22.403 -27.207 1.00 0.00 C ATOM 223 CG ASN A 14 -5.063 23.470 -26.184 1.00 0.00 C ATOM 224 OD1 ASN A 14 -4.407 24.508 -26.103 1.00 0.00 O ATOM 225 ND2 ASN A 14 -6.083 23.277 -25.394 1.00 0.00 N ATOM 0 H ASN A 14 -5.649 23.899 -28.913 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.044 23.619 -27.875 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.595 21.965 -27.632 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.145 21.595 -26.720 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.338 23.987 -24.708 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.626 22.416 -25.463 1.00 0.00 H new ATOM 232 N LEU A 15 -3.973 21.364 -30.087 1.00 0.00 N ATOM 233 CA LEU A 15 -3.473 20.296 -30.946 1.00 0.00 C ATOM 234 C LEU A 15 -4.407 20.074 -32.135 1.00 0.00 C ATOM 235 O LEU A 15 -5.479 20.675 -32.218 1.00 0.00 O ATOM 236 CB LEU A 15 -3.313 18.994 -30.146 1.00 0.00 C ATOM 237 CG LEU A 15 -4.520 18.774 -29.220 1.00 0.00 C ATOM 238 CD1 LEU A 15 -5.796 18.551 -30.047 1.00 0.00 C ATOM 239 CD2 LEU A 15 -4.254 17.544 -28.344 1.00 0.00 C ATOM 0 H LEU A 15 -4.937 21.643 -30.271 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.497 20.595 -31.327 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.214 18.151 -30.830 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.398 19.034 -29.555 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.661 19.656 -28.596 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.642 18.397 -29.377 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.982 19.425 -30.671 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.670 17.673 -30.680 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.104 17.378 -27.682 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.112 16.669 -28.979 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.357 17.709 -27.747 1.00 0.00 H new ATOM 251 N LYS A 16 -3.988 19.216 -33.058 1.00 0.00 N ATOM 252 CA LYS A 16 -4.791 18.927 -34.243 1.00 0.00 C ATOM 253 C LYS A 16 -6.094 18.234 -33.856 1.00 0.00 C ATOM 254 O LYS A 16 -6.089 17.256 -33.110 1.00 0.00 O ATOM 255 CB LYS A 16 -3.999 18.035 -35.202 1.00 0.00 C ATOM 256 CG LYS A 16 -4.821 17.798 -36.472 1.00 0.00 C ATOM 257 CD LYS A 16 -3.947 17.161 -37.561 1.00 0.00 C ATOM 258 CE LYS A 16 -3.599 15.716 -37.187 1.00 0.00 C ATOM 259 NZ LYS A 16 -2.916 15.059 -38.337 1.00 0.00 N1+ ATOM 0 H LYS A 16 -3.103 18.711 -33.011 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.031 19.869 -34.736 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.049 18.506 -35.453 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.767 17.084 -34.723 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.668 17.149 -36.249 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.230 18.743 -36.830 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.472 17.180 -38.516 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.033 17.741 -37.689 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.953 15.701 -36.309 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.504 15.168 -36.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.679 14.078 -38.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.547 15.062 -39.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.044 15.578 -38.566 1.00 0.00 H new ATOM 273 N ASP A 17 -7.210 18.750 -34.368 1.00 0.00 N ATOM 274 CA ASP A 17 -8.528 18.180 -34.076 1.00 0.00 C ATOM 275 C ASP A 17 -9.357 18.068 -35.352 1.00 0.00 C ATOM 276 O ASP A 17 -10.401 17.417 -35.372 1.00 0.00 O ATOM 277 CB ASP A 17 -9.261 19.068 -33.068 1.00 0.00 C ATOM 278 CG ASP A 17 -10.510 18.359 -32.556 1.00 0.00 C ATOM 279 OD1 ASP A 17 -10.362 17.344 -31.895 1.00 0.00 O ATOM 280 OD2 ASP A 17 -11.595 18.841 -32.833 1.00 0.00 O1- ATOM 0 H ASP A 17 -7.230 19.561 -34.987 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.391 17.183 -33.657 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.601 19.306 -32.234 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.536 20.013 -33.537 1.00 0.00 H new ATOM 285 N ASN A 18 -8.885 18.711 -36.414 1.00 0.00 N ATOM 286 CA ASN A 18 -9.588 18.685 -37.694 1.00 0.00 C ATOM 287 C ASN A 18 -9.666 17.264 -38.245 1.00 0.00 C ATOM 288 O ASN A 18 -10.676 16.869 -38.829 1.00 0.00 O ATOM 289 CB ASN A 18 -8.870 19.586 -38.700 1.00 0.00 C ATOM 290 CG ASN A 18 -9.087 21.050 -38.336 1.00 0.00 C ATOM 291 OD1 ASN A 18 -10.159 21.600 -38.588 1.00 0.00 O ATOM 292 ND2 ASN A 18 -8.128 21.719 -37.755 1.00 0.00 N ATOM 0 H ASN A 18 -8.022 19.255 -36.416 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.602 19.051 -37.533 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.804 19.359 -38.708 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.245 19.393 -39.705 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.266 22.699 -37.509 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.240 21.261 -37.547 1.00 0.00 H new ATOM 299 N VAL A 19 -8.589 16.505 -38.073 1.00 0.00 N ATOM 300 CA VAL A 19 -8.540 15.136 -38.577 1.00 0.00 C ATOM 301 C VAL A 19 -9.748 14.329 -38.102 1.00 0.00 C ATOM 302 O VAL A 19 -10.114 13.329 -38.721 1.00 0.00 O ATOM 303 CB VAL A 19 -7.241 14.446 -38.131 1.00 0.00 C ATOM 304 CG1 VAL A 19 -7.298 14.105 -36.635 1.00 0.00 C ATOM 305 CG2 VAL A 19 -7.053 13.159 -38.934 1.00 0.00 C ATOM 0 H VAL A 19 -7.743 16.811 -37.592 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.564 15.181 -39.666 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.405 15.123 -38.306 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.370 13.617 -36.337 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.428 15.020 -36.058 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.137 13.435 -36.446 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.133 12.666 -38.621 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.899 12.494 -38.759 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.994 13.398 -39.996 1.00 0.00 H new ATOM 315 N GLU A 20 -10.370 14.766 -37.011 1.00 0.00 N ATOM 316 CA GLU A 20 -11.538 14.063 -36.486 1.00 0.00 C ATOM 317 C GLU A 20 -12.684 14.108 -37.491 1.00 0.00 C ATOM 318 O GLU A 20 -13.402 13.123 -37.674 1.00 0.00 O ATOM 319 CB GLU A 20 -11.991 14.676 -35.158 1.00 0.00 C ATOM 320 CG GLU A 20 -10.987 14.331 -34.055 1.00 0.00 C ATOM 321 CD GLU A 20 -11.342 15.082 -32.775 1.00 0.00 C ATOM 322 OE1 GLU A 20 -12.165 15.979 -32.848 1.00 0.00 O ATOM 323 OE2 GLU A 20 -10.786 14.749 -31.742 1.00 0.00 O1- ATOM 0 H GLU A 20 -10.091 15.591 -36.479 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.255 13.024 -36.314 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.077 15.758 -35.258 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.979 14.301 -34.893 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.992 13.257 -33.870 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.979 14.595 -34.374 1.00 0.00 H new ATOM 330 N LEU A 21 -12.849 15.252 -38.147 1.00 0.00 N ATOM 331 CA LEU A 21 -13.909 15.407 -39.138 1.00 0.00 C ATOM 332 C LEU A 21 -13.685 14.451 -40.305 1.00 0.00 C ATOM 333 O LEU A 21 -14.630 13.863 -40.831 1.00 0.00 O ATOM 334 CB LEU A 21 -13.956 16.849 -39.658 1.00 0.00 C ATOM 335 CG LEU A 21 -14.478 17.803 -38.567 1.00 0.00 C ATOM 336 CD1 LEU A 21 -14.286 19.249 -39.037 1.00 0.00 C ATOM 337 CD2 LEU A 21 -15.975 17.544 -38.293 1.00 0.00 C ATOM 0 H LEU A 21 -12.268 16.079 -38.012 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.859 15.173 -38.658 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.960 17.160 -39.974 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.601 16.904 -40.535 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.922 17.631 -37.646 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.653 19.932 -38.271 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.227 19.437 -39.214 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.842 19.408 -39.961 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.327 18.227 -37.520 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.546 17.706 -39.207 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.111 16.516 -37.958 1.00 0.00 H new ATOM 349 N GLU A 22 -12.426 14.300 -40.705 1.00 0.00 N ATOM 350 CA GLU A 22 -12.086 13.411 -41.811 1.00 0.00 C ATOM 351 C GLU A 22 -12.469 11.973 -41.475 1.00 0.00 C ATOM 352 O GLU A 22 -12.997 11.248 -42.318 1.00 0.00 O ATOM 353 CB GLU A 22 -10.584 13.491 -42.100 1.00 0.00 C ATOM 354 CG GLU A 22 -10.244 12.661 -43.346 1.00 0.00 C ATOM 355 CD GLU A 22 -10.159 11.177 -42.994 1.00 0.00 C ATOM 356 OE1 GLU A 22 -9.846 10.871 -41.855 1.00 0.00 O ATOM 357 OE2 GLU A 22 -10.405 10.367 -43.872 1.00 0.00 O1- ATOM 0 H GLU A 22 -11.630 14.778 -40.283 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.642 13.726 -42.694 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.290 14.529 -42.253 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.020 13.123 -41.243 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.004 12.816 -44.112 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.295 12.996 -43.766 1.00 0.00 H new ATOM 364 N ARG A 23 -12.199 11.570 -40.238 1.00 0.00 N ATOM 365 CA ARG A 23 -12.519 10.216 -39.798 1.00 0.00 C ATOM 366 C ARG A 23 -14.022 9.963 -39.895 1.00 0.00 C ATOM 367 O ARG A 23 -14.456 8.907 -40.353 1.00 0.00 O ATOM 368 CB ARG A 23 -12.056 10.017 -38.352 1.00 0.00 C ATOM 369 CG ARG A 23 -12.364 8.586 -37.905 1.00 0.00 C ATOM 370 CD ARG A 23 -11.757 8.342 -36.522 1.00 0.00 C ATOM 371 NE ARG A 23 -10.301 8.364 -36.599 1.00 0.00 N ATOM 372 CZ ARG A 23 -9.554 8.249 -35.506 1.00 0.00 C ATOM 373 NH1 ARG A 23 -8.252 8.272 -35.599 1.00 0.00 N1+ ATOM 374 NH2 ARG A 23 -10.121 8.113 -34.338 1.00 0.00 N ATOM 0 H ARG A 23 -11.763 12.156 -39.527 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.002 9.509 -40.446 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -10.986 10.211 -38.272 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.559 10.729 -37.698 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.442 8.427 -37.874 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.958 7.874 -38.623 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.103 9.106 -35.825 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.093 7.381 -36.134 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.848 8.469 -37.507 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.808 8.378 -36.511 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.679 8.184 -34.760 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.138 8.095 -34.264 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.547 8.025 -33.500 1.00 0.00 H new ATOM 388 N LEU A 24 -14.808 10.939 -39.457 1.00 0.00 N ATOM 389 CA LEU A 24 -16.262 10.818 -39.495 1.00 0.00 C ATOM 390 C LEU A 24 -16.751 10.663 -40.934 1.00 0.00 C ATOM 391 O LEU A 24 -17.630 9.849 -41.216 1.00 0.00 O ATOM 392 CB LEU A 24 -16.901 12.056 -38.853 1.00 0.00 C ATOM 393 CG LEU A 24 -18.434 11.954 -38.884 1.00 0.00 C ATOM 394 CD1 LEU A 24 -18.902 10.713 -38.103 1.00 0.00 C ATOM 395 CD2 LEU A 24 -19.025 13.216 -38.244 1.00 0.00 C ATOM 0 H LEU A 24 -14.466 11.820 -39.073 1.00 0.00 H new ATOM 0 HA LEU A 24 -16.554 9.930 -38.935 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.559 12.155 -37.823 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -16.580 12.953 -39.383 1.00 0.00 H new ATOM 0 HG LEU A 24 -18.771 11.863 -39.917 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -19.990 10.653 -38.133 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -18.477 9.817 -38.555 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -18.571 10.789 -37.067 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -20.113 13.156 -38.260 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -18.681 13.296 -37.213 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -18.702 14.094 -38.804 1.00 0.00 H new ATOM 407 N LYS A 25 -16.182 11.456 -41.836 1.00 0.00 N ATOM 408 CA LYS A 25 -16.577 11.407 -43.240 1.00 0.00 C ATOM 409 C LYS A 25 -16.303 10.030 -43.840 1.00 0.00 C ATOM 410 O LYS A 25 -17.110 9.509 -44.610 1.00 0.00 O ATOM 411 CB LYS A 25 -15.807 12.465 -44.029 1.00 0.00 C ATOM 412 CG LYS A 25 -16.321 13.858 -43.652 1.00 0.00 C ATOM 413 CD LYS A 25 -15.386 14.939 -44.210 1.00 0.00 C ATOM 414 CE LYS A 25 -15.452 14.965 -45.741 1.00 0.00 C ATOM 415 NZ LYS A 25 -14.708 16.152 -46.247 1.00 0.00 N1+ ATOM 0 H LYS A 25 -15.452 12.135 -41.623 1.00 0.00 H new ATOM 0 HA LYS A 25 -17.647 11.604 -43.299 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.741 12.389 -43.815 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.930 12.297 -45.099 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -17.328 14.000 -44.045 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -16.386 13.948 -42.568 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.668 15.913 -43.811 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.363 14.746 -43.887 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.022 14.051 -46.150 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.490 15.005 -46.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.751 16.172 -47.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.137 17.019 -45.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.715 16.095 -45.943 1.00 0.00 H new ATOM 429 N ASN A 26 -15.163 9.442 -43.483 1.00 0.00 N ATOM 430 CA ASN A 26 -14.792 8.121 -43.996 1.00 0.00 C ATOM 431 C ASN A 26 -15.155 7.031 -42.992 1.00 0.00 C ATOM 432 O ASN A 26 -14.748 7.081 -41.832 1.00 0.00 O ATOM 433 CB ASN A 26 -13.287 8.077 -44.274 1.00 0.00 C ATOM 434 CG ASN A 26 -12.954 8.956 -45.474 1.00 0.00 C ATOM 435 OD1 ASN A 26 -13.830 9.265 -46.282 1.00 0.00 O ATOM 436 ND2 ASN A 26 -11.732 9.379 -45.641 1.00 0.00 N ATOM 0 H ASN A 26 -14.483 9.855 -42.845 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.342 7.944 -44.920 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.737 8.419 -43.398 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -12.974 7.051 -44.466 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -11.501 9.967 -46.442 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -11.007 9.122 -44.971 1.00 0.00 H new ATOM 443 N GLU A 27 -15.924 6.047 -43.449 1.00 0.00 N ATOM 444 CA GLU A 27 -16.342 4.944 -42.586 1.00 0.00 C ATOM 445 C GLU A 27 -15.282 3.847 -42.558 1.00 0.00 C ATOM 446 O GLU A 27 -15.349 2.930 -41.740 1.00 0.00 O ATOM 447 CB GLU A 27 -17.664 4.361 -43.093 1.00 0.00 C ATOM 448 CG GLU A 27 -18.777 5.396 -42.921 1.00 0.00 C ATOM 449 CD GLU A 27 -20.085 4.854 -43.490 1.00 0.00 C ATOM 450 OE1 GLU A 27 -20.047 3.804 -44.110 1.00 0.00 O ATOM 451 OE2 GLU A 27 -21.103 5.498 -43.297 1.00 0.00 O1- ATOM 0 H GLU A 27 -16.270 5.990 -44.407 1.00 0.00 H new ATOM 0 HA GLU A 27 -16.473 5.330 -41.575 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.572 4.081 -44.143 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.909 3.453 -42.542 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.902 5.636 -41.865 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.506 6.322 -43.428 1.00 0.00 H new ATOM 458 N ARG A 28 -14.308 3.944 -43.458 1.00 0.00 N ATOM 459 CA ARG A 28 -13.244 2.946 -43.523 1.00 0.00 C ATOM 460 C ARG A 28 -12.437 2.933 -42.229 1.00 0.00 C ATOM 461 O ARG A 28 -12.055 1.872 -41.736 1.00 0.00 O ATOM 462 CB ARG A 28 -12.317 3.248 -44.703 1.00 0.00 C ATOM 463 CG ARG A 28 -13.055 2.977 -46.016 1.00 0.00 C ATOM 464 CD ARG A 28 -12.133 3.294 -47.194 1.00 0.00 C ATOM 465 NE ARG A 28 -12.820 3.035 -48.454 1.00 0.00 N ATOM 466 CZ ARG A 28 -12.213 3.229 -49.621 1.00 0.00 C ATOM 467 NH1 ARG A 28 -12.847 2.989 -50.735 1.00 0.00 N1+ ATOM 468 NH2 ARG A 28 -10.981 3.661 -49.650 1.00 0.00 N ATOM 0 H ARG A 28 -14.233 4.694 -44.145 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.700 1.966 -43.660 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.990 4.287 -44.665 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.421 2.630 -44.643 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.372 1.935 -46.059 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.956 3.587 -46.072 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.820 4.337 -47.150 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.230 2.687 -47.132 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.783 2.699 -48.440 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.809 2.652 -50.712 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.380 3.138 -51.630 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.486 3.849 -48.778 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.514 3.810 -50.544 1.00 0.00 H new ATOM 482 N HIS A 29 -12.180 4.118 -41.685 1.00 0.00 N ATOM 483 CA HIS A 29 -11.417 4.231 -40.446 1.00 0.00 C ATOM 484 C HIS A 29 -12.306 3.935 -39.241 1.00 0.00 C ATOM 485 O HIS A 29 -13.503 4.220 -39.256 1.00 0.00 O ATOM 486 CB HIS A 29 -10.831 5.637 -40.320 1.00 0.00 C ATOM 487 CG HIS A 29 -9.867 5.882 -41.447 1.00 0.00 C ATOM 488 ND1 HIS A 29 -8.632 5.257 -41.513 1.00 0.00 N ATOM 489 CD2 HIS A 29 -9.942 6.683 -42.561 1.00 0.00 C ATOM 490 CE1 HIS A 29 -8.019 5.687 -42.630 1.00 0.00 C ATOM 491 NE2 HIS A 29 -8.774 6.557 -43.306 1.00 0.00 N ATOM 0 H HIS A 29 -12.486 5.008 -42.079 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.606 3.503 -40.472 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.630 6.379 -40.343 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.322 5.746 -39.362 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.780 7.314 -42.819 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.036 5.368 -42.942 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -8.544 7.028 -44.181 1.00 0.00 H new ATOM 499 N ASP A 30 -11.710 3.364 -38.199 1.00 0.00 N ATOM 500 CA ASP A 30 -12.458 3.037 -36.990 1.00 0.00 C ATOM 501 C ASP A 30 -13.670 2.167 -37.326 1.00 0.00 C ATOM 502 O ASP A 30 -14.749 2.358 -36.766 1.00 0.00 O ATOM 503 CB ASP A 30 -12.930 4.324 -36.309 1.00 0.00 C ATOM 504 CG ASP A 30 -13.367 4.031 -34.877 1.00 0.00 C ATOM 505 OD1 ASP A 30 -13.192 2.904 -34.444 1.00 0.00 O ATOM 506 OD2 ASP A 30 -13.870 4.938 -34.236 1.00 0.00 O1- ATOM 0 H ASP A 30 -10.720 3.120 -38.167 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.802 2.484 -36.317 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.126 5.060 -36.308 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.759 4.758 -36.869 1.00 0.00 H new ATOM 511 N HIS A 31 -13.487 1.216 -38.240 1.00 0.00 N ATOM 512 CA HIS A 31 -14.577 0.328 -38.637 1.00 0.00 C ATOM 513 C HIS A 31 -15.088 -0.475 -37.443 1.00 0.00 C ATOM 514 O HIS A 31 -16.297 -0.609 -37.245 1.00 0.00 O ATOM 515 CB HIS A 31 -14.098 -0.629 -39.730 1.00 0.00 C ATOM 516 CG HIS A 31 -15.213 -1.569 -40.101 1.00 0.00 C ATOM 517 ND1 HIS A 31 -16.321 -1.153 -40.822 1.00 0.00 N ATOM 518 CD2 HIS A 31 -15.406 -2.906 -39.854 1.00 0.00 C ATOM 519 CE1 HIS A 31 -17.123 -2.222 -40.984 1.00 0.00 C ATOM 520 NE2 HIS A 31 -16.613 -3.315 -40.413 1.00 0.00 N ATOM 0 H HIS A 31 -12.602 1.041 -38.716 1.00 0.00 H new ATOM 0 HA HIS A 31 -15.394 0.941 -39.019 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -13.777 -0.065 -40.606 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -13.234 -1.194 -39.380 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -14.725 -3.543 -39.309 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -18.065 -2.198 -41.512 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -17.020 -4.250 -40.391 1.00 0.00 H new ATOM 528 N ASP A 32 -14.162 -1.016 -36.658 1.00 0.00 N ATOM 529 CA ASP A 32 -14.526 -1.813 -35.492 1.00 0.00 C ATOM 530 C ASP A 32 -15.334 -0.988 -34.495 1.00 0.00 C ATOM 531 O ASP A 32 -16.272 -1.494 -33.878 1.00 0.00 O ATOM 532 CB ASP A 32 -13.262 -2.344 -34.810 1.00 0.00 C ATOM 533 CG ASP A 32 -12.621 -3.429 -35.670 1.00 0.00 C ATOM 534 OD1 ASP A 32 -13.274 -3.893 -36.589 1.00 0.00 O ATOM 535 OD2 ASP A 32 -11.486 -3.778 -35.394 1.00 0.00 O1- ATOM 0 H ASP A 32 -13.158 -0.918 -36.807 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.141 -2.647 -35.829 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.555 -1.530 -34.651 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.511 -2.746 -33.828 1.00 0.00 H new ATOM 540 N GLU A 33 -14.958 0.276 -34.334 1.00 0.00 N ATOM 541 CA GLU A 33 -15.649 1.162 -33.399 1.00 0.00 C ATOM 542 C GLU A 33 -15.623 0.576 -31.989 1.00 0.00 C ATOM 543 O GLU A 33 -16.559 0.762 -31.213 1.00 0.00 O ATOM 544 CB GLU A 33 -17.104 1.365 -33.837 1.00 0.00 C ATOM 545 CG GLU A 33 -17.141 1.987 -35.233 1.00 0.00 C ATOM 546 CD GLU A 33 -18.585 2.226 -35.659 1.00 0.00 C ATOM 547 OE1 GLU A 33 -19.472 1.847 -34.913 1.00 0.00 O ATOM 548 OE2 GLU A 33 -18.783 2.785 -36.725 1.00 0.00 O1- ATOM 0 H GLU A 33 -14.183 0.710 -34.835 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.134 2.123 -33.397 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.629 0.410 -33.840 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -17.621 2.011 -33.127 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.592 2.929 -35.235 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.647 1.328 -35.947 1.00 0.00 H new ATOM 555 N GLU A 34 -14.545 -0.135 -31.666 1.00 0.00 N ATOM 556 CA GLU A 34 -14.410 -0.744 -30.346 1.00 0.00 C ATOM 557 C GLU A 34 -14.382 0.329 -29.260 1.00 0.00 C ATOM 558 O GLU A 34 -14.988 0.167 -28.201 1.00 0.00 O ATOM 559 CB GLU A 34 -13.124 -1.574 -30.287 1.00 0.00 C ATOM 560 CG GLU A 34 -13.016 -2.266 -28.926 1.00 0.00 C ATOM 561 CD GLU A 34 -11.776 -3.152 -28.890 1.00 0.00 C ATOM 562 OE1 GLU A 34 -11.073 -3.193 -29.885 1.00 0.00 O ATOM 563 OE2 GLU A 34 -11.549 -3.779 -27.868 1.00 0.00 O1- ATOM 0 H GLU A 34 -13.759 -0.302 -32.294 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.269 -1.392 -30.173 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.123 -2.317 -31.084 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.258 -0.932 -30.449 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.964 -1.520 -28.133 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.907 -2.866 -28.742 1.00 0.00 H new ATOM 570 N ALA A 35 -13.671 1.419 -29.529 1.00 0.00 N ATOM 571 CA ALA A 35 -13.566 2.508 -28.562 1.00 0.00 C ATOM 572 C ALA A 35 -14.941 3.094 -28.258 1.00 0.00 C ATOM 573 O ALA A 35 -15.249 3.412 -27.110 1.00 0.00 O ATOM 574 CB ALA A 35 -12.652 3.604 -29.110 1.00 0.00 C ATOM 0 H ALA A 35 -13.163 1.572 -30.400 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.144 2.109 -27.639 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.578 4.413 -28.383 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.660 3.192 -29.296 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.065 3.990 -30.042 1.00 0.00 H new ATOM 580 N GLU A 36 -15.765 3.229 -29.291 1.00 0.00 N ATOM 581 CA GLU A 36 -17.109 3.772 -29.113 1.00 0.00 C ATOM 582 C GLU A 36 -17.940 2.855 -28.224 1.00 0.00 C ATOM 583 O GLU A 36 -18.713 3.319 -27.385 1.00 0.00 O ATOM 584 CB GLU A 36 -17.805 3.949 -30.467 1.00 0.00 C ATOM 585 CG GLU A 36 -17.155 5.098 -31.247 1.00 0.00 C ATOM 586 CD GLU A 36 -17.475 6.430 -30.575 1.00 0.00 C ATOM 587 OE1 GLU A 36 -18.394 6.461 -29.773 1.00 0.00 O ATOM 588 OE2 GLU A 36 -16.795 7.399 -30.872 1.00 0.00 O1- ATOM 0 H GLU A 36 -15.531 2.974 -30.250 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.019 4.747 -28.634 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -17.739 3.025 -31.042 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -18.865 4.155 -30.316 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.076 4.954 -31.292 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -17.519 5.103 -32.275 1.00 0.00 H new ATOM 595 N ARG A 37 -17.776 1.549 -28.413 1.00 0.00 N ATOM 596 CA ARG A 37 -18.515 0.573 -27.623 1.00 0.00 C ATOM 597 C ARG A 37 -18.187 0.732 -26.142 1.00 0.00 C ATOM 598 O ARG A 37 -19.076 0.700 -25.291 1.00 0.00 O ATOM 599 CB ARG A 37 -18.160 -0.845 -28.083 1.00 0.00 C ATOM 600 CG ARG A 37 -19.018 -1.865 -27.330 1.00 0.00 C ATOM 601 CD ARG A 37 -18.646 -3.278 -27.786 1.00 0.00 C ATOM 602 NE ARG A 37 -18.939 -3.443 -29.206 1.00 0.00 N ATOM 603 CZ ARG A 37 -20.166 -3.743 -29.625 1.00 0.00 C ATOM 604 NH1 ARG A 37 -20.404 -3.885 -30.900 1.00 0.00 N1+ ATOM 605 NH2 ARG A 37 -21.132 -3.896 -28.760 1.00 0.00 N ATOM 0 H ARG A 37 -17.142 1.145 -29.102 1.00 0.00 H new ATOM 0 HA ARG A 37 -19.582 0.742 -27.767 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -18.324 -0.940 -29.156 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.103 -1.042 -27.903 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -18.863 -1.765 -26.256 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -20.075 -1.677 -27.518 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -17.587 -3.460 -27.602 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -19.202 -4.014 -27.205 1.00 0.00 H new ATOM 0 HE ARG A 37 -18.191 -3.326 -29.889 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -19.649 -3.766 -31.576 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -21.345 -4.115 -31.221 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -20.946 -3.786 -27.763 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -22.072 -4.126 -29.081 1.00 0.00 H new ATOM 619 N LYS A 38 -16.904 0.907 -25.840 1.00 0.00 N ATOM 620 CA LYS A 38 -16.470 1.073 -24.457 1.00 0.00 C ATOM 621 C LYS A 38 -17.119 2.308 -23.841 1.00 0.00 C ATOM 622 O LYS A 38 -17.591 2.272 -22.705 1.00 0.00 O ATOM 623 CB LYS A 38 -14.947 1.209 -24.400 1.00 0.00 C ATOM 624 CG LYS A 38 -14.507 1.366 -22.941 1.00 0.00 C ATOM 625 CD LYS A 38 -12.982 1.232 -22.826 1.00 0.00 C ATOM 626 CE LYS A 38 -12.292 2.459 -23.431 1.00 0.00 C ATOM 627 NZ LYS A 38 -10.830 2.393 -23.146 1.00 0.00 N1+ ATOM 0 H LYS A 38 -16.152 0.937 -26.528 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.775 0.194 -23.889 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.475 0.331 -24.842 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.625 2.071 -24.984 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.823 2.338 -22.562 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.993 0.610 -22.324 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.698 1.126 -21.779 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.650 0.330 -23.339 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.463 2.493 -24.507 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.715 3.372 -23.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.359 3.225 -23.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.677 2.380 -22.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.433 1.528 -23.566 1.00 0.00 H new ATOM 641 N ALA A 39 -17.139 3.400 -24.599 1.00 0.00 N ATOM 642 CA ALA A 39 -17.734 4.641 -24.120 1.00 0.00 C ATOM 643 C ALA A 39 -19.217 4.442 -23.821 1.00 0.00 C ATOM 644 O ALA A 39 -19.738 4.965 -22.836 1.00 0.00 O ATOM 645 CB ALA A 39 -17.566 5.742 -25.169 1.00 0.00 C ATOM 0 H ALA A 39 -16.752 3.450 -25.542 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.225 4.935 -23.202 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.014 6.666 -24.802 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.505 5.904 -25.360 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.059 5.442 -26.094 1.00 0.00 H new ATOM 651 N LEU A 40 -19.890 3.683 -24.679 1.00 0.00 N ATOM 652 CA LEU A 40 -21.311 3.420 -24.498 1.00 0.00 C ATOM 653 C LEU A 40 -21.553 2.701 -23.175 1.00 0.00 C ATOM 654 O LEU A 40 -22.470 3.045 -22.429 1.00 0.00 O ATOM 655 CB LEU A 40 -21.832 2.568 -25.664 1.00 0.00 C ATOM 656 CG LEU A 40 -23.329 2.265 -25.490 1.00 0.00 C ATOM 657 CD1 LEU A 40 -24.136 3.575 -25.455 1.00 0.00 C ATOM 658 CD2 LEU A 40 -23.799 1.404 -26.667 1.00 0.00 C ATOM 0 H LEU A 40 -19.477 3.242 -25.501 1.00 0.00 H new ATOM 0 HA LEU A 40 -21.847 4.369 -24.480 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.669 3.093 -26.605 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -21.271 1.635 -25.718 1.00 0.00 H new ATOM 0 HG LEU A 40 -23.485 1.733 -24.551 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -25.195 3.347 -25.331 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -23.797 4.189 -24.620 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -23.988 4.118 -26.388 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -24.860 1.182 -26.555 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -23.638 1.944 -27.600 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -23.234 0.472 -26.685 1.00 0.00 H new ATOM 670 N GLU A 41 -20.723 1.702 -22.889 1.00 0.00 N ATOM 671 CA GLU A 41 -20.858 0.944 -21.651 1.00 0.00 C ATOM 672 C GLU A 41 -20.664 1.860 -20.446 1.00 0.00 C ATOM 673 O GLU A 41 -21.397 1.771 -19.461 1.00 0.00 O ATOM 674 CB GLU A 41 -19.822 -0.183 -21.616 1.00 0.00 C ATOM 675 CG GLU A 41 -20.004 -1.016 -20.343 1.00 0.00 C ATOM 676 CD GLU A 41 -19.024 -2.183 -20.339 1.00 0.00 C ATOM 677 OE1 GLU A 41 -18.269 -2.300 -21.291 1.00 0.00 O ATOM 678 OE2 GLU A 41 -19.042 -2.944 -19.386 1.00 0.00 O1- ATOM 0 H GLU A 41 -19.957 1.401 -23.492 1.00 0.00 H new ATOM 0 HA GLU A 41 -21.859 0.515 -21.610 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -19.932 -0.817 -22.496 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.816 0.235 -21.648 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.843 -0.392 -19.464 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -21.027 -1.389 -20.286 1.00 0.00 H new ATOM 685 N ASP A 42 -19.673 2.741 -20.534 1.00 0.00 N ATOM 686 CA ASP A 42 -19.393 3.672 -19.445 1.00 0.00 C ATOM 687 C ASP A 42 -20.593 4.579 -19.193 1.00 0.00 C ATOM 688 O ASP A 42 -20.962 4.830 -18.047 1.00 0.00 O ATOM 689 CB ASP A 42 -18.169 4.524 -19.788 1.00 0.00 C ATOM 690 CG ASP A 42 -17.824 5.434 -18.617 1.00 0.00 C ATOM 691 OD1 ASP A 42 -18.601 5.480 -17.679 1.00 0.00 O ATOM 692 OD2 ASP A 42 -16.786 6.074 -18.676 1.00 0.00 O1- ATOM 0 H ASP A 42 -19.055 2.831 -21.340 1.00 0.00 H new ATOM 0 HA ASP A 42 -19.192 3.096 -18.542 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.321 3.880 -20.021 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.369 5.122 -20.677 1.00 0.00 H new ATOM 697 N LYS A 43 -21.197 5.065 -20.271 1.00 0.00 N ATOM 698 CA LYS A 43 -22.355 5.945 -20.156 1.00 0.00 C ATOM 699 C LYS A 43 -23.495 5.223 -19.444 1.00 0.00 C ATOM 700 O LYS A 43 -24.156 5.792 -18.575 1.00 0.00 O ATOM 701 CB LYS A 43 -22.808 6.392 -21.550 1.00 0.00 C ATOM 702 CG LYS A 43 -23.959 7.402 -21.427 1.00 0.00 C ATOM 703 CD LYS A 43 -24.484 7.790 -22.817 1.00 0.00 C ATOM 704 CE LYS A 43 -23.500 8.734 -23.519 1.00 0.00 C ATOM 705 NZ LYS A 43 -24.129 9.264 -24.762 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.907 4.867 -21.229 1.00 0.00 H new ATOM 0 HA LYS A 43 -22.076 6.822 -19.572 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -21.973 6.843 -22.086 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.131 5.528 -22.131 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -24.766 6.972 -20.834 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -23.615 8.292 -20.900 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.630 6.894 -23.420 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -25.456 8.273 -22.723 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -23.230 9.555 -22.855 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.579 8.204 -23.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -23.465 9.905 -25.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -24.366 8.474 -25.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -24.996 9.784 -24.518 1.00 0.00 H new ATOM 719 N LEU A 44 -23.716 3.966 -19.812 1.00 0.00 N ATOM 720 CA LEU A 44 -24.777 3.176 -19.193 1.00 0.00 C ATOM 721 C LEU A 44 -24.493 2.983 -17.707 1.00 0.00 C ATOM 722 O LEU A 44 -25.402 3.044 -16.879 1.00 0.00 O ATOM 723 CB LEU A 44 -24.896 1.806 -19.876 1.00 0.00 C ATOM 724 CG LEU A 44 -25.476 1.955 -21.295 1.00 0.00 C ATOM 725 CD1 LEU A 44 -25.353 0.613 -22.024 1.00 0.00 C ATOM 726 CD2 LEU A 44 -26.961 2.374 -21.232 1.00 0.00 C ATOM 0 H LEU A 44 -23.181 3.475 -20.528 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.717 3.714 -19.312 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -23.916 1.332 -19.926 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -25.536 1.152 -19.283 1.00 0.00 H new ATOM 0 HG LEU A 44 -24.921 2.726 -21.830 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -25.761 0.707 -23.030 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -24.303 0.326 -22.083 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -25.907 -0.150 -21.478 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -27.354 2.474 -22.244 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -27.531 1.615 -20.695 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -27.048 3.328 -20.713 1.00 0.00 H new ATOM 738 N ALA A 45 -23.228 2.750 -17.377 1.00 0.00 N ATOM 739 CA ALA A 45 -22.834 2.553 -15.986 1.00 0.00 C ATOM 740 C ALA A 45 -23.144 3.799 -15.163 1.00 0.00 C ATOM 741 O ALA A 45 -23.592 3.705 -14.020 1.00 0.00 O ATOM 742 CB ALA A 45 -21.339 2.243 -15.905 1.00 0.00 C ATOM 0 H ALA A 45 -22.462 2.693 -18.048 1.00 0.00 H new ATOM 0 HA ALA A 45 -23.399 1.713 -15.582 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -21.054 2.097 -14.863 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -21.124 1.336 -16.470 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -20.772 3.074 -16.324 1.00 0.00 H new ATOM 748 N ASP A 46 -22.901 4.964 -15.753 1.00 0.00 N ATOM 749 CA ASP A 46 -23.155 6.225 -15.067 1.00 0.00 C ATOM 750 C ASP A 46 -24.629 6.357 -14.714 1.00 0.00 C ATOM 751 O ASP A 46 -24.976 6.801 -13.620 1.00 0.00 O ATOM 752 CB ASP A 46 -22.732 7.398 -15.953 1.00 0.00 C ATOM 753 CG ASP A 46 -22.911 8.712 -15.201 1.00 0.00 C ATOM 754 OD1 ASP A 46 -23.478 8.682 -14.122 1.00 0.00 O ATOM 755 OD2 ASP A 46 -22.479 9.731 -15.715 1.00 0.00 O1- ATOM 0 H ASP A 46 -22.531 5.061 -16.698 1.00 0.00 H new ATOM 0 HA ASP A 46 -22.572 6.238 -14.146 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -21.691 7.280 -16.253 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -23.328 7.408 -16.866 1.00 0.00 H new ATOM 760 N LYS A 47 -25.497 5.971 -15.643 1.00 0.00 N ATOM 761 CA LYS A 47 -26.932 6.056 -15.402 1.00 0.00 C ATOM 762 C LYS A 47 -27.390 4.881 -14.546 1.00 0.00 C ATOM 763 O LYS A 47 -27.504 3.753 -15.027 1.00 0.00 O ATOM 764 CB LYS A 47 -27.685 6.052 -16.736 1.00 0.00 C ATOM 765 CG LYS A 47 -29.186 6.207 -16.485 1.00 0.00 C ATOM 766 CD LYS A 47 -29.926 6.253 -17.823 1.00 0.00 C ATOM 767 CE LYS A 47 -31.423 6.439 -17.574 1.00 0.00 C ATOM 768 NZ LYS A 47 -31.952 5.259 -16.834 1.00 0.00 N1+ ATOM 0 H LYS A 47 -25.237 5.601 -16.557 1.00 0.00 H new ATOM 0 HA LYS A 47 -27.147 6.984 -14.872 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -27.327 6.864 -17.368 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -27.491 5.122 -17.271 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -29.552 5.375 -15.883 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -29.379 7.119 -15.920 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -29.544 7.071 -18.434 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -29.751 5.332 -18.379 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -31.597 7.350 -17.001 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -31.949 6.554 -18.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -32.830 4.931 -17.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -31.247 4.494 -16.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -32.149 5.527 -15.849 1.00 0.00 H new ATOM 782 N GLN A 48 -27.649 5.158 -13.273 1.00 0.00 N ATOM 783 CA GLN A 48 -28.096 4.125 -12.345 1.00 0.00 C ATOM 784 C GLN A 48 -27.262 2.854 -12.515 1.00 0.00 C ATOM 785 O GLN A 48 -26.039 2.887 -12.389 1.00 0.00 O ATOM 786 CB GLN A 48 -29.579 3.817 -12.582 1.00 0.00 C ATOM 787 CG GLN A 48 -30.425 5.011 -12.136 1.00 0.00 C ATOM 788 CD GLN A 48 -31.877 4.806 -12.551 1.00 0.00 C ATOM 789 OE1 GLN A 48 -32.149 4.146 -13.554 1.00 0.00 O ATOM 790 NE2 GLN A 48 -32.833 5.335 -11.837 1.00 0.00 N ATOM 0 H GLN A 48 -27.558 6.086 -12.861 1.00 0.00 H new ATOM 0 HA GLN A 48 -27.965 4.491 -11.326 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -29.754 3.608 -13.637 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -29.869 2.925 -12.028 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -30.361 5.129 -11.054 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -30.037 5.928 -12.580 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -32.606 5.882 -11.006 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -33.807 5.202 -12.110 1.00 0.00 H new ATOM 799 N GLU A 49 -27.928 1.737 -12.799 1.00 0.00 N ATOM 800 CA GLU A 49 -27.229 0.468 -12.979 1.00 0.00 C ATOM 801 C GLU A 49 -26.273 0.213 -11.817 1.00 0.00 C ATOM 802 O GLU A 49 -25.241 -0.438 -11.982 1.00 0.00 O ATOM 803 CB GLU A 49 -26.445 0.489 -14.293 1.00 0.00 C ATOM 804 CG GLU A 49 -27.421 0.575 -15.468 1.00 0.00 C ATOM 805 CD GLU A 49 -26.652 0.616 -16.784 1.00 0.00 C ATOM 806 OE1 GLU A 49 -25.436 0.679 -16.734 1.00 0.00 O ATOM 807 OE2 GLU A 49 -27.292 0.585 -17.822 1.00 0.00 O1- ATOM 0 H GLU A 49 -28.941 1.685 -12.908 1.00 0.00 H new ATOM 0 HA GLU A 49 -27.968 -0.333 -13.008 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -25.764 1.340 -14.309 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -25.834 -0.410 -14.379 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -28.093 -0.283 -15.457 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -28.041 1.466 -15.372 1.00 0.00 H new ATOM 814 N HIS A 50 -26.623 0.732 -10.642 1.00 0.00 N ATOM 815 CA HIS A 50 -25.786 0.553 -9.461 1.00 0.00 C ATOM 816 C HIS A 50 -25.641 -0.928 -9.118 1.00 0.00 C ATOM 817 O HIS A 50 -24.539 -1.404 -8.846 1.00 0.00 O ATOM 818 CB HIS A 50 -26.395 1.299 -8.271 1.00 0.00 C ATOM 819 CG HIS A 50 -25.503 1.140 -7.071 1.00 0.00 C ATOM 820 ND1 HIS A 50 -25.653 0.096 -6.172 1.00 0.00 N ATOM 821 CD2 HIS A 50 -24.446 1.885 -6.608 1.00 0.00 C ATOM 822 CE1 HIS A 50 -24.709 0.240 -5.223 1.00 0.00 C ATOM 823 NE2 HIS A 50 -23.946 1.313 -5.441 1.00 0.00 N ATOM 0 H HIS A 50 -27.472 1.275 -10.484 1.00 0.00 H new ATOM 0 HA HIS A 50 -24.798 0.959 -9.678 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -26.513 2.355 -8.512 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -27.389 0.908 -8.053 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -24.061 2.778 -7.078 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -24.584 -0.432 -4.386 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -23.165 1.643 -4.875 1.00 0.00 H new ATOM 831 N LEU A 51 -26.758 -1.649 -9.133 1.00 0.00 N ATOM 832 CA LEU A 51 -26.738 -3.076 -8.823 1.00 0.00 C ATOM 833 C LEU A 51 -25.914 -3.840 -9.854 1.00 0.00 C ATOM 834 O LEU A 51 -25.174 -4.763 -9.508 1.00 0.00 O ATOM 835 CB LEU A 51 -28.165 -3.638 -8.790 1.00 0.00 C ATOM 836 CG LEU A 51 -28.929 -3.113 -7.560 1.00 0.00 C ATOM 837 CD1 LEU A 51 -30.406 -3.496 -7.692 1.00 0.00 C ATOM 838 CD2 LEU A 51 -28.352 -3.721 -6.263 1.00 0.00 C ATOM 0 H LEU A 51 -27.680 -1.274 -9.354 1.00 0.00 H new ATOM 0 HA LEU A 51 -26.281 -3.200 -7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -28.694 -3.355 -9.700 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -28.132 -4.727 -8.766 1.00 0.00 H new ATOM 0 HG LEU A 51 -28.825 -2.029 -7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -30.956 -3.129 -6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -30.818 -3.052 -8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -30.497 -4.581 -7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -28.904 -3.338 -5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -28.443 -4.807 -6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -27.301 -3.448 -6.169 1.00 0.00 H new ATOM 850 N ASP A 52 -26.047 -3.455 -11.119 1.00 0.00 N ATOM 851 CA ASP A 52 -25.309 -4.118 -12.188 1.00 0.00 C ATOM 852 C ASP A 52 -23.816 -3.760 -12.100 1.00 0.00 C ATOM 853 O ASP A 52 -23.453 -2.792 -11.433 1.00 0.00 O ATOM 854 CB ASP A 52 -25.863 -3.693 -13.550 1.00 0.00 C ATOM 855 CG ASP A 52 -27.237 -4.315 -13.774 1.00 0.00 C ATOM 856 OD1 ASP A 52 -27.591 -5.210 -13.023 1.00 0.00 O ATOM 857 OD2 ASP A 52 -27.915 -3.888 -14.692 1.00 0.00 O1- ATOM 0 H ASP A 52 -26.653 -2.695 -11.427 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.424 -5.196 -12.077 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -25.935 -2.606 -13.599 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -25.181 -4.004 -14.342 1.00 0.00 H new ATOM 862 N GLY A 53 -22.944 -4.531 -12.770 1.00 0.00 N ATOM 863 CA GLY A 53 -21.514 -4.248 -12.731 1.00 0.00 C ATOM 864 C GLY A 53 -20.881 -4.812 -11.462 1.00 0.00 C ATOM 865 O GLY A 53 -19.683 -4.647 -11.230 1.00 0.00 O ATOM 0 H GLY A 53 -23.205 -5.340 -13.334 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -21.030 -4.680 -13.607 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -21.351 -3.171 -12.776 1.00 0.00 H new ATOM 869 N ALA A 54 -21.690 -5.476 -10.642 1.00 0.00 N ATOM 870 CA ALA A 54 -21.193 -6.058 -9.401 1.00 0.00 C ATOM 871 C ALA A 54 -20.123 -7.106 -9.690 1.00 0.00 C ATOM 872 O ALA A 54 -19.118 -7.193 -8.985 1.00 0.00 O ATOM 873 CB ALA A 54 -22.345 -6.702 -8.627 1.00 0.00 C ATOM 0 H ALA A 54 -22.685 -5.623 -10.813 1.00 0.00 H new ATOM 0 HA ALA A 54 -20.752 -5.262 -8.801 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -21.965 -7.134 -7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -23.094 -5.945 -8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -22.798 -7.486 -9.234 1.00 0.00 H new ATOM 879 N LEU A 55 -20.348 -7.901 -10.732 1.00 0.00 N ATOM 880 CA LEU A 55 -19.396 -8.940 -11.106 1.00 0.00 C ATOM 881 C LEU A 55 -18.051 -8.322 -11.472 1.00 0.00 C ATOM 882 O LEU A 55 -16.998 -8.809 -11.057 1.00 0.00 O ATOM 883 CB LEU A 55 -19.948 -9.744 -12.293 1.00 0.00 C ATOM 884 CG LEU A 55 -18.957 -10.838 -12.716 1.00 0.00 C ATOM 885 CD1 LEU A 55 -18.710 -11.812 -11.552 1.00 0.00 C ATOM 886 CD2 LEU A 55 -19.544 -11.603 -13.909 1.00 0.00 C ATOM 0 H LEU A 55 -21.174 -7.846 -11.328 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.250 -9.608 -10.257 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -20.902 -10.196 -12.020 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -20.140 -9.076 -13.133 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.008 -10.379 -12.995 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -18.006 -12.582 -11.866 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -18.297 -11.267 -10.703 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.652 -12.278 -11.261 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -18.849 -12.383 -14.219 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.492 -12.056 -13.620 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -19.709 -10.914 -14.737 1.00 0.00 H new ATOM 898 N ARG A 56 -18.091 -7.246 -12.253 1.00 0.00 N ATOM 899 CA ARG A 56 -16.868 -6.571 -12.670 1.00 0.00 C ATOM 900 C ARG A 56 -16.124 -6.015 -11.460 1.00 0.00 C ATOM 901 O ARG A 56 -14.896 -6.071 -11.395 1.00 0.00 O ATOM 902 CB ARG A 56 -17.204 -5.430 -13.633 1.00 0.00 C ATOM 903 CG ARG A 56 -17.695 -6.012 -14.960 1.00 0.00 C ATOM 904 CD ARG A 56 -18.098 -4.874 -15.898 1.00 0.00 C ATOM 905 NE ARG A 56 -16.943 -4.037 -16.202 1.00 0.00 N ATOM 906 CZ ARG A 56 -16.064 -4.387 -17.135 1.00 0.00 C ATOM 907 NH1 ARG A 56 -15.039 -3.621 -17.388 1.00 0.00 N1+ ATOM 908 NH2 ARG A 56 -16.224 -5.500 -17.798 1.00 0.00 N ATOM 0 H ARG A 56 -18.950 -6.826 -12.607 1.00 0.00 H new ATOM 0 HA ARG A 56 -16.229 -7.296 -13.174 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -17.970 -4.787 -13.199 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -16.324 -4.809 -13.799 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -16.910 -6.614 -15.418 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -18.544 -6.673 -14.787 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -18.513 -5.283 -16.820 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -18.880 -4.272 -15.436 1.00 0.00 H new ATOM 0 HE ARG A 56 -16.807 -3.166 -15.689 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.911 -2.752 -16.869 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.365 -3.891 -18.104 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -17.024 -6.101 -17.600 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.549 -5.769 -18.514 1.00 0.00 H new ATOM 922 N TYR A 57 -16.875 -5.476 -10.505 1.00 0.00 N ATOM 923 CA TYR A 57 -16.274 -4.913 -9.301 1.00 0.00 C ATOM 924 C TYR A 57 -15.634 -6.014 -8.460 1.00 0.00 C ATOM 925 O TYR A 57 -16.300 -6.515 -7.570 1.00 0.00 O ATOM 926 CB TYR A 57 -17.341 -4.187 -8.477 1.00 0.00 C ATOM 927 CG TYR A 57 -16.732 -3.693 -7.183 1.00 0.00 C ATOM 928 CD1 TYR A 57 -15.940 -2.538 -7.181 1.00 0.00 C ATOM 929 CD2 TYR A 57 -16.960 -4.388 -5.990 1.00 0.00 C ATOM 930 CE1 TYR A 57 -15.376 -2.080 -5.984 1.00 0.00 C ATOM 931 CE2 TYR A 57 -16.397 -3.929 -4.793 1.00 0.00 C ATOM 932 CZ TYR A 57 -15.604 -2.774 -4.791 1.00 0.00 C ATOM 933 OH TYR A 57 -15.049 -2.323 -3.612 1.00 0.00 O ATOM 934 OXT TYR A 57 -14.486 -6.338 -8.719 1.00 0.00 O ATOM 0 H TYR A 57 -17.893 -5.417 -10.540 1.00 0.00 H new ATOM 0 HA TYR A 57 -15.501 -4.203 -9.597 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -17.745 -3.348 -9.044 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -18.172 -4.860 -8.266 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.764 -2.001 -8.102 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -17.571 -5.279 -5.993 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -14.764 -1.190 -5.982 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.574 -4.465 -3.872 1.00 0.00 H new ATOM 0 HH TYR A 57 -15.308 -2.920 -2.879 1.00 0.00 H new TER 944 TYR A 57